Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80fb478e27107409e6a0d303772d8aab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 162.638,
"b": 222.985,
"c": 192.256,
"alpha": 90.00,
"beta": 98.55,
"gamma": 90.00
},
"wavelengths": [0.98400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.77,3.53],
"number_observations": 636204,
"number_observations_unique": 82990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "R(meas)",
"value": 0.551
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [3.60,3.53],
"number_observations": 34852,
"number_observations_unique": 4521,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.842
},
{
"type": "R(meas)",
"value": 6.262
},
{
"type": "R(pim)",
"value": 2.249
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.234
}
]
}
]
}